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5A8

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CBACAZsing1.53Å1.52Å
CBACBCsing1.51Å1.51Å
CAZNAYsing1.46Å1.45Å
CBCCBFsing1.46Å1.36ÅAromatic
CBCCBEdoub1.34Å1.30ÅAromatic
NAYCAXsing1.35Å1.29Å
N6C6sing1.39Å1.29Å
CBKCBFdoub1.40Å1.36ÅAromatic
CBKCBJsing1.37Å1.37ÅAromatic
OBBCAXdoub1.21Å1.20Å
CBFCBGsing1.41Å1.35ÅAromatic
CBENBDsing1.37Å1.30ÅAromatic
CAXCAWsing1.51Å1.52Å
CBJCBIdoub1.39Å1.37ÅAromatic
C6N1doub1.33Å1.29ÅAromatic
C6C5sing1.40Å1.37ÅAromatic
CBGNBDsing1.38Å1.29ÅAromatic
CBGCBHdoub1.39Å1.36ÅAromatic
N1C2sing1.32Å1.30ÅAromatic
N7C5sing1.36Å1.30ÅAromatic
N7C8doub1.31Å1.29ÅAromatic
CAWSAAsing1.81Å1.82Å
C5C4doub1.40Å1.35ÅAromatic
CBICBHsing1.38Å1.36ÅAromatic
C8SAAsing1.76Å1.66Å
C8N9sing1.37Å1.29ÅAromatic
C2N3doub1.32Å1.29ÅAromatic
C4N3sing1.33Å1.30ÅAromatic
C4N9sing1.38Å1.29ÅAromatic
NAVNAUdoub1.12Å1.28Å
N9CALsing1.47Å1.44Å
NAUNATdoub1.12Å1.28Å
OAMCALsing1.44Å1.39Å
OAMCANsing1.44Å1.39Å
CALCAPsing1.55Å1.52Å
CASNATsing1.47Å1.46Å
CASCANsing1.53Å1.52Å
CAPCAOsing1.55Å1.51Å
CAPOAQsing1.43Å1.38Å
CANCAOsing1.54Å1.52Å
CAOOARsing1.43Å1.41Å
C2H1sing1.08Å1.08Å
CBKH2sing1.08Å1.08Å
CBJH3sing1.08Å1.08Å
CBIH4sing1.08Å1.08Å
CBHH5sing1.08Å1.08Å
NBDH6sing0.97Å1.00Å
CBEH7sing1.08Å1.08Å
CBAH8sing1.09Å1.10Å
CBAH9sing1.09Å1.10Å
CAZH10sing1.09Å1.10Å
CAZH11sing1.09Å1.10Å
NAYH12sing0.97Å1.00Å
CAWH13sing1.09Å1.10Å
CAWH14sing1.09Å1.10Å
N6H15sing0.97Å1.00Å
N6H16sing0.97Å1.00Å
CALH17sing1.09Å1.10Å
CAPH18sing1.09Å1.10Å
OAQH19sing0.97Å0.95Å
CAOH20sing1.09Å1.10Å
OARH21sing0.97Å0.95Å
CANH22sing1.09Å1.10Å
CASH23sing1.09Å1.10Å
CASH24sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CAZCBACBC111.4°109.5°
CBACAZNAY108.3°109.5°
CAZCBAH8109.0°109.4°
CAZCBAH9109.0°109.4°
CBACAZH10109.8°109.5°
CBACAZH11109.7°109.5°
CBACBCCBF129.7°126.5°
CBACBCCBE123.7°126.5°
CBCCBAH8109.0°109.5°
CBCCBAH9109.0°109.5°
CAZNAYCAX123.5°120.1°
NAYCAZH10109.7°109.4°
NAYCAZH11109.8°109.4°
CAZNAYH12118.2°119.9°
CBFCBCCBE106.6°107.0°
CBCCBFCBK134.0°134.0°
CBCCBFCBG106.4°106.1°
CBCCBENBD110.1°109.9°
CBCCBEH7124.9°125.0°
NAYCAXOBB122.8°120.0°
NAYCAXCAW114.9°120.0°
CAXNAYH12118.2°120.0°
N6C6N1119.0°120.8°
N6C6C5122.9°120.8°
C6N6H15109.5°119.9°
C6N6H16109.4°120.0°
CBFCBKCBJ119.6°119.7°
CBKCBFCBG119.6°119.9°
CBFCBKH2120.2°120.1°
CBKCBJCBI120.3°120.6°
CBJCBKH2120.2°120.1°
CBKCBJH3119.9°119.7°
OBBCAXCAW122.4°119.9°
CBFCBGNBD107.8°107.2°
CBFCBGCBH121.5°119.3°
CBENBDCBG109.1°109.9°
CBENBDH6125.5°125.0°
NBDCBEH7125.0°125.1°
CAXCAWSAA113.7°109.5°
CAXCAWH13108.4°109.4°
CAXCAWH14108.4°109.5°
CBJCBICBH119.7°120.6°
CBICBJH3119.9°119.7°
CBJCBIH4120.2°119.7°
N1C6C5118.1°118.4°
C6N1C2120.9°121.2°
C6C5N7134.0°134.5°
C6C5C4119.2°118.2°
NBDCBGCBH130.8°133.5°
CBGNBDH6125.5°125.1°
CBGCBHCBI119.5°119.8°
CBGCBHH5120.3°120.1°
N1C2N3122.5°122.4°
N1C2H1118.8°118.8°
C5N7C8107.4°109.4°
N7C5C4106.8°107.3°
N7C8SAA125.8°125.1°
N7C8N9110.5°109.7°
CAWSAAC8102.5°100.0°
SAACAWH13108.4°109.5°
SAACAWH14108.4°109.5°
C5C4N3119.7°119.1°
C5C4N9108.2°106.2°
CBHCBIH4120.2°119.7°
CBICBHH5120.3°120.1°
SAAC8N9123.8°125.2°
C8N9C4107.2°107.4°
C8N9CAL126.9°126.3°
C2N3C4119.6°120.6°
N3C2H1118.8°118.8°
N3C4N9132.1°134.7°
C4N9CAL125.9°126.3°
NAVNAUNAT179.9°179.9°
N9CALOAM103.1°110.6°
N9CALCAP115.1°110.6°
N9CALH17111.4°110.6°
NAUNATCAS119.4°120.0°
CALOAMCAN105.4°106.9°
OAMCALCAP104.5°103.5°
OAMCALH17112.2°110.8°
OAMCANCAS108.3°109.9°
OAMCANCAO101.6°107.3°
OAMCANH22113.9°109.8°
CALCAPCAO103.9°102.1°
CALCAPOAQ106.9°110.9°
CAPCALH17110.2°110.6°
CALCAPH18111.9°110.9°
NATCASCAN109.9°109.4°
NATCASH23109.3°109.5°
NATCASH24109.3°109.5°
CASCANCAO109.1°109.9°
CASCANH22111.7°110.0°
CANCASH23109.4°109.5°
CANCASH24109.4°109.5°
CAOCAPOAQ107.2°110.9°
CAPCAOCAN101.4°104.2°
CAPCAOOAR110.7°110.5°
CAOCAPH18112.0°110.9°
CAPCAOH20110.6°110.5°
OAQCAPH18114.2°110.9°
CAPOAQH19109.5°113.9°
CANCAOOAR111.2°110.5°
CANCAOH20110.5°110.6°
CAOCANH22111.8°109.9°
OARCAOH20112.1°110.4°
CAOOARH21109.5°114.0°
H8CBAH9109.4°109.5°
H10CAZH11109.5°109.5°
H13CAWH14109.5°109.5°
H15N6H16109.5°120.1°
H23CASH24109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CAZCBACBCH8120.3°120.0°
CAZCBACBCH9120.3°120.0°
CBACAZNAYH10119.8°120.0°
CBACAZNAYH11119.8°120.0°
CAZCBACBCCBF140.9°85.0°
CAZCBACBCCBE37.0°95.4°
CBACAZNAYCAX130.9°180.0°
CAZCBAH8H9119.1°119.9°
CBACAZH10H11120.5°120.0°
CBACAZNAYH1249.1°0.0°
CBCCBACAZNAY41.3°180.0°
CBACBCCBFCBE178.2°179.6°
CBACBCCBFCBK1.8°0.3°
CBACBCCBFCBG179.0°180.0°
CBACBCCBENBD178.8°180.0°
CBACBCCBEH71.2°0.2°
CBCCBAH8H9119.1°120.0°
CBCCBACAZH10161.1°60.0°
CBCCBACAZH1178.6°60.0°
CAZNAYCAXH12180.0°179.9°
CAZNAYCAXOBB3.5°0.1°
CAZNAYCAXCAW177.3°180.0°
NAYCAZCBAH8161.6°60.0°
NAYCAZCBAH979.0°60.0°
NAYCAZH10H11120.6°119.9°
CBCCBFCBKCBG179.1°179.7°
CBCCBFCBKCBJ179.5°179.6°
CBFCBCCBENBD0.5°0.4°
CBCCBFCBGNBD0.9°0.2°
CBCCBFCBGCBH179.7°179.7°
CBCCBFCBKH20.5°0.3°
CBFCBCCBEH7179.6°179.8°
CBFCBCCBAH898.8°155.0°
CBFCBCCBAH920.6°35.0°
CBECBCCBFCBK180.0°179.9°
CBECBCCBFCBG0.8°0.4°
CBCCBENBDH7180.0°179.8°
CBCCBENBDCBG0.1°0.2°
CBCCBENBDH6179.9°179.8°
CBECBCCBAH883.3°24.6°
CBECBCCBAH9157.3°144.6°
NAYCAXOBBCAW179.1°179.9°
NAYCAXCAWSAA81.6°180.0°
CAXNAYCAZH10109.3°60.0°
CAXNAYCAZH1111.1°59.9°
NAYCAXCAWH1339.0°60.0°
NAYCAXCAWH14157.7°60.0°
N6C6N1C5179.3°179.5°
N6C6N1C2179.6°179.9°
N6C6C5N71.3°0.5°
N6C6C5C4179.6°179.8°
C6N6H15H16120.0°180.0°
CBFCBKCBJH2180.0°179.9°
CBFCBKCBJCBI0.1°0.1°
CBKCBFCBGNBD179.8°180.0°
CBKCBFCBGCBH0.4°0.0°
CBFCBKCBJH3179.9°180.0°
CBJCBKCBFCBG0.4°0.0°
CBKCBJCBIH3180.0°179.9°
CBKCBJCBICBH0.5°0.1°
CBKCBJCBIH4179.5°180.0°
OBBCAXCAWSAA99.2°0.1°
OBBCAXNAYH12176.5°180.0°
OBBCAXCAWH13140.2°120.1°
OBBCAXCAWH1421.5°120.0°
CBFCBGNBDCBE0.6°0.0°
CBFCBGNBDCBH179.3°179.9°
CBFCBGCBHCBI0.0°0.0°
CBGCBFCBKH2179.6°180.0°
CBFCBGCBHH5180.0°180.0°
CBFCBGNBDH6179.4°180.0°
CBENBDCBGH6180.0°180.0°
CBENBDCBGCBH179.9°179.9°
CAXCAWSAAH13120.6°120.0°
CAXCAWSAAH14120.6°120.0°
CAXCAWSAAC888.3°180.0°
CAWCAXNAYH122.6°0.1°
CAXCAWH13H14118.1°120.0°
CBJCBICBHCBG0.5°0.1°
CBJCBICBHH4180.0°179.9°
CBICBJCBKH2179.9°180.0°
CBJCBICBHH5179.5°179.9°
N1C6C5N7179.4°179.9°
N1C6C5C41.1°0.8°
C6N1C2N30.3°0.1°
C6N1C2H1179.6°179.7°
N1C6N6H150.0°0.0°
N1C6N6H16120.0°180.0°
C5C6N1C20.3°0.5°
C6C5N7C4178.5°179.4°
C6C5N7C8178.6°179.3°
C6C5C4N31.2°0.5°
C6C5C4N9179.2°179.5°
C5C6N6H15179.3°179.4°
C5C6N6H1659.3°0.6°
NBDCBGCBHCBI179.2°180.0°
NBDCBGCBHH50.8°0.0°
CBGNBDCBEH7179.9°179.9°
CBGCBHCBIH5180.0°180.0°
CBGCBHCBIH4179.5°180.0°
CBHCBGNBDH60.1°0.1°
N1C2N3H1180.0°179.6°
N1C2N3C40.2°0.4°
C5N7C8SAA179.1°180.0°
C5N7C8N90.2°0.1°
N7C5C4N3180.0°180.0°
N7C5C4N90.4°0.0°
N7C8SAACAW19.3°0.0°
C8N7C5C40.1°0.0°
N7C8SAAN9178.8°179.9°
N7C8N9C40.5°0.1°
N7C8N9CAL178.5°179.9°
CAWSAAC8N9162.0°179.9°
SAACAWH13H14118.1°120.0°
C5C4N9C80.6°0.1°
C5C4N3C20.6°0.1°
C5C4N3N9179.5°180.0°
C5C4N9CAL178.4°179.9°
CBHCBICBJH3179.4°180.0°
SAAC8N9C4179.4°180.0°
SAAC8N9CAL0.4°0.1°
C8SAACAWH1332.3°60.0°
C8SAACAWH14151.0°60.0°
C8N9C4N3179.9°180.0°
C8N9C4CAL179.0°179.9°
C8N9CALOAM50.2°39.0°
C8N9CALCAP63.0°75.1°
C8N9CALH17170.7°162.0°
C2N3C4N9180.0°179.9°
N3C4N9CAL1.1°0.1°
C4N3C2H1179.8°180.0°
C4N9CALOAM128.6°140.9°
C4N9CALCAP118.2°105.1°
C4N9CALH178.1°17.8°
NAVNAUNATCAS179.3°82.6°
N9CALOAMCAP120.7°118.4°
N9CALOAMH17119.9°122.9°
N9CALOAMCAN160.1°158.5°
N9CALCAPH17127.0°122.8°
N9CALCAPCAO125.0°155.5°
N9CALCAPOAQ121.8°86.3°
N9CALCAPH183.9°37.4°
NAUNATCASCAN102.1°120.1°
NAUNATCASH2317.9°0.0°
NAUNATCASH24137.8°120.0°
OAMCALCAPH17120.7°118.7°
CALOAMCANCAS164.5°146.0°
OAMCALCAPCAO12.7°37.1°
OAMCALCAPOAQ125.9°155.3°
CALOAMCANCAO49.8°26.5°
OAMCALCAPH18108.4°81.1°
CALOAMCANH2270.6°92.9°
CANOAMCALCAP39.4°40.1°
OAMCANCASNAT89.0°66.5°
OAMCANCASCAO109.8°117.8°
OAMCANCASH22126.2°121.1°
OAMCANCAOCAP38.9°2.0°
OAMCANCAOH22121.8°119.4°
OAMCANCAOOAR156.6°120.7°
CANOAMCALH1780.0°78.5°
OAMCANCAOH2078.3°116.7°
OAMCANCASH2331.0°173.5°
OAMCANCASH24150.9°53.5°
CALCAPCAOOAQ113.0°118.2°
CALCAPCAOH18121.0°118.1°
CALCAPOAQH18124.3°123.7°
CALCAPCAOCAN15.6°20.9°
CALCAPCAOOAR133.7°97.8°
CALCAPOAQH19180.0°180.0°
CALCAPCAOH20101.5°139.7°
NATCASCANH23120.0°120.0°
NATCASCANH24120.0°120.0°
NATCASCANCAO161.2°175.7°
NATCASCANH2237.2°54.6°
NATCASH23H24119.8°120.0°
CASCANCAOCAP153.2°121.5°
CASCANCAOH22124.0°121.2°
CASCANCAOOAR89.2°119.9°
CASCANCAOH2035.9°2.7°
CANCASH23H24119.8°120.0°
CAOCAPOAQH18124.8°123.7°
CAPCAOCANOAR117.7°118.7°
CAPCAOCANH20117.2°118.8°
CAPCAOOARH20123.9°122.5°
CAOCAPCALH17108.0°81.7°
CAOCAPOAQH1969.1°67.3°
CAPCAOOARH21180.0°180.0°
CAPCAOCANH2282.9°117.3°
OAQCAPCAOCAN97.4°139.1°
OAQCAPCAOOAR20.7°20.4°
OAQCAPCALH175.2°36.5°
OAQCAPCAOH20145.5°102.1°
CANCAOOARH20124.2°122.7°
CANCAOCAPH18136.6°97.3°
CANCAOOARH2168.2°65.2°
CAOCANCASH2378.8°55.7°
CAOCANCASH2441.2°64.3°
OARCAOCAPH18105.4°144.0°
OARCAOCANH2234.8°1.3°
H2CBKCBJH30.1°0.1°
H3CBJCBIH40.6°0.1°
H4CBICBHH50.5°0.0°
H6NBDCBEH70.1°0.1°
H8CBACAZH1078.6°180.0°
H8CBACAZH1141.7°60.0°
H9CBACAZH1040.8°60.0°
H9CBACAZH11161.1°180.0°
H10CAZNAYH1270.8°120.0°
H11CAZNAYH12168.9°120.0°
H17CALCAPH18130.9°160.2°
H18CAPOAQH1955.7°56.4°
H18CAPCAOH2019.4°21.6°
H20CAOOARH2156.1°57.4°
H20CAOCANH22159.9°123.9°
H22CANCASH23157.2°65.4°
H22CANCASH2482.9°174.6°

227111

PDB entries from 2024-11-06

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